SCHEMBL2434540

SCHEMBL2434540

CC(C)(NC(=O)Oc1cc2c(NC(=O)c3ccc(CNC4CC4)cc3)n[nH]c2s1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
AURKA O14965 4/20 0.41
HDAC1 Q13547 2/20 0.40
PRKD1 Q15139 1/20 0.36
FLT3 P36888 7/20 0.36
ACKR3 P25106 1/20 0.36
KIT P10721 6/20 0.36
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2434523 0.97 ABL1 (0.43) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL2436119 0.97 ABL1 (0.43) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL739415 0.88 ABL1 (0.53) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL2467029 0.87 ABL1 (0.43) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL2432388 0.87 FLT3 (0.47) ABL1BCRAURKAHDAC1FLT3
SCHEMBL2438137 0.87 AURKA (0.45) ABL1BCRAURKAFLT3ROCK2
SCHEMBL2432182 0.85 AURKA (0.41) ABL1BCRAURKAHDAC1FLT3
SCHEMBL741142 0.85 ABL1 (0.53) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL741580 0.85 ABL1 (0.53) ABL1BCRAURKAHDAC1PRKD1
SCHEMBL2431903 0.84 ABL1 (0.58) ABL1BCRAURKAHDAC1FLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007380-B1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-09-14 EP claimed